N-[[1-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]piperidin-3-yl]methyl]-N-phenyl-propanamide

Systemtic Name: N-[[1-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]piperidin-3-yl]methyl]-N-phenyl-propanamide Openeye Name: N-[[1-[(1-oxidopyridin-1-ium-4-yl)methyl]-3-piperidyl]methyl]-N-phenyl-propanamide CAS Name: N-[[1-[(1-oxido-4-pyridin-1-iumyl)methyl]-3-piperidinyl]methyl]-N-phenylpropanamide IUPAC Name: N-[[1-[(1-oxidopyridin-1-ium-4-yl)methyl]piperidin-3-yl]methyl]-N-phenylpropanamide Traditional Name: N-[[1-[(1-oxidopyridin-1-ium-4-yl)methyl]-3-piperidyl]methyl]-N-phenyl-propionamide Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1CCCN(C1)CC2=CC=[N+](C=C2)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC(=O)N(CC1CCCN(C1)CC2=CC=[N+](C=C2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-2-21(25)24(20-8-4-3-5-9-20)17-19-7-6-12-22(16-19)15-18-10-13-23(26)14-11-18/h3-5,8-11,13-14,19H,2,6-7,12,15-17H2,1H3